SCHEMBL13624140

SCHEMBL13624140

C[C@@H](NC(=O)Nc1ccc2nc(-c3cscn3)[nH]c2c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.56
METAP2 P50579 5/20 0.50
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
FKBP1A P62942 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4365319 0.93 METAP1 (0.48) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4367957 0.93 METAP1 (0.48) METAP1METAP2RAB9AKDM4ENPC1
Trifluoroacetic Acid SCHEMBL4376103 0.88 METAP1 (0.44) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL13624141 0.87 METAP1 (0.52) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4368578 0.87 METAP1 (0.58) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL13624132 0.86 METAP1 (0.64) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4367996 0.84 METAP1 (0.60) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4371979 0.84 METAP1 (0.55) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4367716 0.84 METAP1 (0.55) METAP1METAP2RAB9AKDM4ENPC1
SCHEMBL4368621 0.84 METAP1 (0.55) METAP1METAP2RAB9AKDM4ENPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622592-B2 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-11-24 US disclosed